SCHEMBL2365488

SCHEMBL2365488

Cc1c(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(CCF)n1-c1ccc(F)cc1C(F)(F)F.Cc1c(C(N)=O)c(-c2ccc(S(N)(=O)=O)cc2)c(CCO)n1-c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.54
HMGCR P04035 3/20 0.37
CHRNA7 P36544 2/20 0.35
CA2 P00918 5/20 0.34
CA1 P00915 4/20 0.34
CA4 P22748 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 4/20 0.33
CA12 O43570 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2365402 0.93 NR3C2 (0.65) NR3C2CHRNA7CA2CA1CA7
SCHEMBL2365487 0.89 NR3C2 (0.67) NR3C2CHRNA7CA2CA1CA4
SCHEMBL2548973 0.87 NR3C2 (0.61) NR3C2CA2CA1CA4CA7
SCHEMBL2545125 0.86 NR3C2 (0.70) NR3C2CA2CA1CA4CA7
SCHEMBL2365401 0.80 NR3C2 (0.81) NR3C2CA2CA1CA7CA9
SCHEMBL2359038 0.79 NR3C2 (0.82) NR3C2
SCHEMBL2548305 0.79 NR3C2 (0.75) NR3C2CA2CA1CA7CA9
SCHEMBL2548930 0.78 NR3C2 (0.85) NR3C2CA2CA1CA7CA9
SCHEMBL1381638 0.77 NR3C2 (0.64) NR3C2CA2CA1CA4CA7
SCHEMBL2357173 0.71 NR3C2 (1.00) NR3C2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349996-A1 1-PHENYLPYRROLE COMPOUNDS Exelixis, Inc. (US) 2011-08-03 EP disclosed